1990

For availability of preprints see personal webpage of co-workers

90-001
A.Beyer, and P.Schuster.
Internal Dynamics of Flexible Molecules: Cyclohexane.
Mh.Chem. 121: 339-349, 1990

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90-002
P.F.Stadler, and P.Schuster.
Dynamics of Small Autocatalytic Reaction Networks I: Bifurcations, Permanence and Exclusion.
Bull.Math.Biol. 52: 485-508, 1990

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90-003
I.J.Kurnig, H.Lischka, and A.Karpfen.
Linear versus Cyclic (HCN)₃. An Ab Initio Study on Structure, Vibrational Spectra and Infrared Intensities.
J.Chem.Phys. 92: 2469-2477, 1990

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90-004
P.G.Szalay, A.Karpfen, and H.Lischka.
Geometry Relaxation Effects in the 1¹B₂ and 2¹A₁ States of cis-1,3-Butadiene.
Chem.Phys. 141 355-363, 1990

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90-005
P.R.Bunker, P.Jensen, A.Karpfen, M.Kofranek, and H.Lischka.
An ab Initio Calculation of the Stretching Energies for the HF Dimer.
J.Chem.Phys. 92: 7432-7440, 1990

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90-006
P.Jensen, P.R.Bunker, A.Karpfen, M.Kofranek, and H.Lischka.
An Ab Initio Calculation of the Intramolecular Stretching Spectra for the HF Dimer and its S-substituted Isotopic Species.
J.Chem.Phys. 93: 6266-6280, 1990

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90-007
P.G.Szalay, A.G.Császár, G.Fogarasi, A.Karpfen, and H.Lischka.
An Ab Initio Study of the Structure and Vibrational Spectroscopy of Allyl and 1,4-Pentadienyl Radicals.
J.Chem.Phys. 93: 1246-1256, 1990

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90-008
M.Kofranek, A.Karpfen, and H.Lischka.
A Scaled Force Field for Polyenes Derived from Ab Initio Calculations Including Electron Correlation Effects.
Intern.J.Quant.Chem.Symp. 24: 721-732, 1990

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90-009
A.Karpfen, I.J.Kurnig, S.-K.Rhee, and H.Lischka.
Ab Initio Studies on Hydrogen Bonded Trimers: (HCN)_x (HF)_3-x, x: 0,1,2,3
In: N.Halberstadt, K.C.Janda, eds.
Dynamics of Polyatomic Van der Waals Complexes 1990 Plenum Press, pp.441-448, New York 1990

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90-010
A.Karpfen.
Ab initio Studies on Hydrogen Bonded Clusters: Structure and Vibrational Spectra of cyclic (HF)_n Complexes.
Intern.J.Quant.Chem.Symp. 24: 129-140, 1990

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90-011
C.X.Cui, A.Karpfen, and M.Kertesz.
Torsional Potentials of Simple Polysilane Derivatives.
Macromolecules 23: 3302-3308, 1990

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90-012
W.Jakubetz, J.Manz, and H.-J.Schreier.
Theory of Optimal Laser Pulses for Selective Transitions between Molecular Eigenstates.
Chem.Phys.Lett. 165: 100-106, 1990

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90-013
W.Jakubetz, B.Just, J.Manz, and H.-J.Schreier.
Mechanisms of State-selective Vibrational Excitation by an Infrared Picosecond Laser Pulse Studies by Two Techniques: Fast Fourier Transform Propagation of a Molecular Wave Packet and Analysis of the Corresponding Vibrational Transitions.
J.Phys.Chem. 94: 2294-2300, 1990

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90-014
T.Hoffmann-Ostenhof, and M.Hoffmann-Ostenhof.
On the local behaviour of nodes of solutions of Schrödinger equations in dimensions >= 3.
Commun. PDE, 15(4): 435-451, 1990

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90-015
A.Becker, G.Buchbauer, S.Winiwarter,and P.Wolschann.
Molecular Shape Comparison of Sandalwood Odor Molecules. Conformational Calculations on Sandalwood Odor III.
J.Ess.Oil Res. 2: 221, 1990

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90-016
O.Steinhauser, S.Boresch, and H.Bertagnolli.
The effect of density variation on the structure of liquid hydrogen chloride - A Monte Carlo study.
J.Chem.Phys. 93: 2357-2363, 1990

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90-017
A.Karpfen, I.J.Kurnig, and H.Lischka.
Ab Initio Studies on Hydrogen Bonded Trimers. Structure and Vibrational Spectra of HCN(HF)₂ and (HCN)₂HF.
J.Mol.Struct.(Theochem) York 1991, p.441-448, 1990

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